4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine

C22H20FN7S — CID 155552566

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3cccnn3)n2)cc1
InChIInChI=1S/C22H20FN7S/c23-16-5-3-14(4-6-16)19-20(31-21(29-19)15-7-11-24-12-8-15)17-9-13-25-22(27-17)28-18-2-1-10-26-30-18/h1-6,9-10,13,15,24H,7-8,11-12H2,(H,25,27,28,30)
InChIKeyDMISXOXBJIPEBE-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.41
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine (PubChem CID 155552566) has the molecular formula C22H20FN7S and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine
PubChem CID155552566
Molecular FormulaC22H20FN7S
Molecular Weight433.52 g/mol
Exact Mass433.15
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3cccnn3)n2)cc1
InChIInChI=1S/C22H20FN7S/c23-16-5-3-14(4-6-16)19-20(31-21(29-19)15-7-11-24-12-8-15)17-9-13-25-22(27-17)28-18-2-1-10-26-30-18/h1-6,9-10,13,15,24H,7-8,11-12H2,(H,25,27,28,30)
InChIKeyDMISXOXBJIPEBE-UHFFFAOYSA-N
XLogP4.41
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine (CID 155552566) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3cccnn3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is DMISXOXBJIPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7S/c23-16-5-3-14(4-6-16)19-20(31-21(29-19)15-7-11-24-12-8-15)17-9-13-25-22(27-17)28-18-2-1-10-26-30-18/h1-6,9-10,13,15,24H,7-8,11-12H2,(H,25,27,28,30).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 433.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 155552566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).